Computing Expectation Values for Molecular Quantum Dynamics
✍ Scribed by Lasser, Caroline; Röblitz, Susanna
- Book ID
- 118191964
- Publisher
- Society for Industrial and Applied Mathematics
- Year
- 2010
- Tongue
- English
- Weight
- 573 KB
- Volume
- 32
- Category
- Article
- ISSN
- 1064-8275
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📜 SIMILAR VOLUMES
## Abstract A generalization of a method to calculate lower bounds to expectation values of non‐negative observables is presented. We consider bounds to three electronic expectation values 〈__r__^2^〉, 〈__r__〉, and 〈__r__^−1^〉 in the helium atom as an example. For both 〈__r__^2^〉 and 〈__r__〉, we are
The calculation of exact confidence limits for the expectation value of a Poisson distribution when a single observation of K events is given by means of a second order iterative algorithm was recently presented. Here it is shown that the structure of the equations to be solved admits the use of a t